2-Hexenal, (E)-
- Formula: C6H10O
- Molecular weight: 98.1430
- IUPAC Standard InChIKey: MBDOYVRWFFCFHM-SNAWJCMRSA-N
- CAS Registry Number: 6728-26-3
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Species with the same structure:
- Isotopologues:
- Stereoisomers:
- Other names: (E)-2-Hexenal; n-Hex-trans-2-enal; trans-Hex-2-enal; trans-2-Hexen-1-al; trans-2-Hexenal; Leaf aldehyde; 2-trans-Hexenal; (2E)-2-Hexenal; 2-(E)-Hexenal; (E)-2-Hexanal; (E)-2-Hexen-1-al; (E)-Hex-2-en-1-al; (E)-Hex-2-enal; Hex-2(E)-enal; Hex-trans-2-enal; t-2-Hexenal; 2-Hexenal, (2E)-
- Information on this page:
- Other data available:
- Options:
Van Den Dool and Kratz RI, non-polar column, custom temperature program
Go To: Top, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | BPX-5 | DB-5 | DB-5MS | DB-5 | DB-5MS |
Column length (m) | 30. | 30. | 30. | 30. | 30. |
Carrier gas | He | He | He | He | |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.32 | 0.32 | 0.25 |
Phase thickness (μm) | 0.25 | 0.25 | 0.5 | 1. | 0.25 |
Program | 35C => 4C/min => 200C => 30C/min => 300C (3min) | 40C(2min) => 4C/min => 220C => 20C/min => 280C | 70C(1min) => 3C/min => 80C(1min) => 5C/min => 150C => 10C/min => 280C (4min) | 40C(2min) => 5C/min => 100C => 4C/min => 230C (10min) | 40 (5min) => 4C/min => 140C => 4C/min => 200C (20min) |
I | 859. | 850. | 865. | 851. | 855. |
Reference | Dharmawan, Kasapis, et al., 2007 | Sampaio and Nogueira, 2006 | Varlet V., Knockaert C., et al., 2006 | Wang, Finn, et al., 2005 | Zheng, Kim, et al., 2005 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-5MS | DB-5 | HP-5 | DB-5MS | DB-5MS |
Column length (m) | 30. | 30. | 50. | 30. | 30. |
Carrier gas | He | He | He | He | He |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.32 | 0.2 | 0.25 | 0.25 |
Phase thickness (μm) | 0.25 | 1. | 0.5 | 0.25 | 0.25 |
Program | 40 (5min) => 4C/min => 140C => 4C/min => 200C (20min) | 40C (2min) => 5C/min => 100C => 4C/min => 230C (10min) | 40C(3min) => 10C/min => 60C =3C/min => 150C => 20C/min => 250C (5min) | 40C(5min) => 4C/min => 160C => 8C/min => 240C (15min) | 40C(5min) => 4C/min => 160C => 8C/min => 240C (15min) |
I | 857. | 851. | 861. | 857. | 853. |
Reference | Zheng, Kim, et al., 2005 | Klesk, Qian, et al., 2004 | Boué, Shih, et al., 2003 | Kim, Lee, et al., 2003 | Kim, Lee, et al., 2003 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-5 | DB-5 | DB-5 | HP-5 | HP-5 |
Column length (m) | 30. | 30. | 60. | 50. | 50. |
Carrier gas | He | He | He | ||
Substrate | |||||
Column diameter (mm) | 0.25 | 0.32 | 0.32 | 0.32 | 0.32 |
Phase thickness (μm) | 0.25 | 1. | 1. | 1.05 | 1.05 |
Program | 40C(2min) => 5C/min => 100C => 4C/min => 230C(10min) | 40C(2min) => 2C/min => 100C => 10C/min => 230C (5min) | 40 C(4min) => 2C/min => 90C => 4C/min => 130C => 8C/min => 250C | 35C (5min) => 10C/min => 150C => 20C/min => 250C (10min) | 35C(5min) => 10C/min => 150C => 20C/min => 250C(10 min) |
I | 874. | 846. | 859. | 857. | 857. |
Reference | Klesk and Qian, 2003 | Klesk and Qian, 2003, 2 | Mayr, van Ruth, et al., 2003 | Carrapiso, Jurado, et al., 2002 | Carrapiso, Ventanas, et al., 2002 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | CP Sil 8 CB | CP Sil 8 CB | DB-5 | CP-Sil 8CB-MS | DB-5 |
Column length (m) | 25. | 60. | 30. | 60. | 30. |
Carrier gas | He | He | He | He | H2 |
Substrate | |||||
Column diameter (mm) | 0.32 | 0.25 | 0.25 | 0.25 | 0.25 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
Program | 35C(2min) => 5C/min => 170C => 20C/min => 240C (10min) | 0C => rapidly => 40C(8min) => 4C/min => 250C(10min) | 50C (1min) => 5C/min => 100C => 10C/min => 250C (9min) | 0C(5min) => 40C/min => 40C (2min) => 4C/min => 280C | 40C(5min) => 2C/min => 220C => 5C/min => 250C(15min) |
I | 850. | 860. | 850. | 857. | 853. |
Reference | Fuhrmann and Grosch, 2002 | Oruna-Concha, Bakker, et al., 2002 | Beaulieu and Grimm, 2001 | Elmore, Mottram, et al., 2000 | Boulanger, Chassagne, et al., 1999 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-5 | DB-5 | DB-5 | SE-54 | SE-54 |
Column length (m) | 30. | 30. | 30. | 30. | 30. |
Carrier gas | H2 | H2 | H2 | He | He |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.32 | 0.32 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
Program | 40C(5min) => 2C/min => 220C => 5C/min => 250C(15min) | 40C(5min) => 2C/min => 220C => 5C/min => 250C(15min) | 40C(5min) => 2C/min => 220C => 5C/min => 250C(15min) | 35C (2min) => 40C/min => 50C => 4C/min => 230C (10min) | 35C(2min) => 40C/min => 50C(2min) => 6C/min => 180C => 10C/min => 230C(10 min) |
I | 854. | 854. | 858. | 853. | 853. |
Reference | Boulanger, Chassagne, et al., 1999 | Boulanger, Chassagne, et al., 1999 | Boulanger, Chassagne, et al., 1999 | Derail, Hofmann, et al., 1999 | Hinterholzer, Lemos, et al., 1998 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | BPX-5 | DB-5 | SE-54 | SE-54 | DB-1 |
Column length (m) | 50. | 30. | 15. | ||
Carrier gas | He | He | He | ||
Substrate | |||||
Column diameter (mm) | 0.32 | 0.25 | 0.32 | ||
Phase thickness (μm) | 0.5 | 1. | |||
Program | 0C (10min) => 40C/min => 40C (2min) => 4C/min => 280C | 35C (2min) => 40C/min => 50C (1min) => 6C/min => 250C (10min) | 35C (2min) => 40C/min => 50C (1min) => 6C/min => 250C (10min) | not specified | not specified |
I | 867. | 862. | 856. | 851. | 824. |
Reference | Elmore, Mottram, et al., 1997 | Triqui and Reineccius, 1995 | Triqui and Reineccius, 1995 | Ullrich and Grosch, 1988 | Mikolajczak, Zilkowski, et al., 1984 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Van Den Dool and Kratz RI, non-polar column, custom temperature program, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Dharmawan, Kasapis, et al., 2007
Dharmawan, J.; Kasapis, S.; Curran, P.; Johnson, J.R.,
Characterization of volatile compounds in selected citrus fruits from Asia. Part I: freshly-squeezed juice,
Flavour Fragr. J., 2007, 22, 3, 228-232, https://doi.org/10.1002/ffj.1790
. [all data]
Sampaio and Nogueira, 2006
Sampaio, T.S.; Nogueira, P.C.L.,
Volatile components of mangaba fruit (Hancornia speciosa Gomes) at three stages of maturity,
Food Chem., 2006, 95, 4, 606-610, https://doi.org/10.1016/j.foodchem.2005.01.038
. [all data]
Varlet V., Knockaert C., et al., 2006
Varlet V.; Knockaert C.; Prost C.; Serot T.,
Comparison of odor-active volatile compounds of fresh and smoked salmon,
J. Agric. Food Chem., 2006, 54, 9, 3391-3401, https://doi.org/10.1021/jf053001p
. [all data]
Wang, Finn, et al., 2005
Wang, Y.; Finn, C.; Qian, M.C.,
Impact of Growing Environment on Chickasaw Blackberry ( Rubus L.) Aroma Evaluated by Gas Chromatography Olfactometry Dilution Analysis,
J. Agric. Food Chem., 2005, 53, 9, 3563-3571, https://doi.org/10.1021/jf048102m
. [all data]
Zheng, Kim, et al., 2005
Zheng, C.H.; Kim, K.H.; Kim, T.H.; Lee, H.J.,
Analysis and characterization of aroma-active compounds of Schizandra chinensis (omija) leaves,
J. Sci. Food Agric., 2005, 85, 1, 161-166, https://doi.org/10.1002/jsfa.1975
. [all data]
Klesk, Qian, et al., 2004
Klesk, K.; Qian, M.; Martin, R.R.,
Aroma extract dilution analysis of cv. meeker (Rubus idaeus L.) red raspberries from Oregon and Washington,
J. Agric. Food Chem., 2004, 52, 16, 5155-5161, https://doi.org/10.1021/jf0498721
. [all data]
Boué, Shih, et al., 2003
Boué, S.M.; Shih, B.Y.; Carter-Wientjes, C.H.; Cleveland, T.E.,
Identification of volatile compounds in soybean at various developmental stages using solid phase microextraction,
J. Agric. Food Chem., 2003, 51, 17, 4873-4876, https://doi.org/10.1021/jf030051q
. [all data]
Kim, Lee, et al., 2003
Kim, T.H.; Lee, S.M.; Kim, Y.-S.; Kim, K.H.; Oh, S.; Lee, H.J.,
Aroma dilution method using GC injector split ratio for volatile compounds extracted by headspace solid phase microextraction,
Food Chem., 2003, 83, 1, 151-158, https://doi.org/10.1016/S0308-8146(03)00221-8
. [all data]
Klesk and Qian, 2003
Klesk, K.; Qian, M.,
Aroma extract dilution analysis of Cv. Marion (Rubus spp. hyb) and Cv. Evergreen (R. Iaciniatus L.) blackberries,
J. Agric. Food Chem., 2003, 51, 11, 3436-3441, https://doi.org/10.1021/jf0262209
. [all data]
Klesk and Qian, 2003, 2
Klesk, K.; Qian, M.,
Preliminary aroma comparison of Marion (Rubus spp. hyb) and Evergreen (R. laciniatus L.) blackberries by dynamic headspace/OSME technique,
J. Food Sci., 2003, 68, 2, 697-700, https://doi.org/10.1111/j.1365-2621.2003.tb05734.x
. [all data]
Mayr, van Ruth, et al., 2003
Mayr, D.; van Ruth, S.; Märk, T.D.,
Evaluation of the influence of mastication on temporal aroma release of ripe and unripe bananas, using a model mouth system and gas chromatography-olfactometry,
Eur. Food Res. Technol., 2003, 217, 4, 291-295, https://doi.org/10.1007/s00217-003-0777-1
. [all data]
Carrapiso, Jurado, et al., 2002
Carrapiso, A.I.; Jurado, Á.; Timón, M.L.; García, C.,
Odor-active compounds of Iberian hams with different aroma characteristics,
J. Agric. Food Chem., 2002, 50, 22, 6453-6458, https://doi.org/10.1021/jf025526c
. [all data]
Carrapiso, Ventanas, et al., 2002
Carrapiso, A.I.; Ventanas, J.; García, C.,
Characterization of the most odor-active compounds of Iberian ham headspace,
J. Agric. Food Chem., 2002, 50, 7, 1996-2000, https://doi.org/10.1021/jf011094e
. [all data]
Fuhrmann and Grosch, 2002
Fuhrmann, E.; Grosch, W.,
Character impact odorants of the apple cultivars Elstar and Cox Orange,
Nahrung/Food, 2002, 46, 3, 187-193, https://doi.org/10.1002/1521-3803(20020501)46:3<187::AID-FOOD187>3.0.CO;2-5
. [all data]
Oruna-Concha, Bakker, et al., 2002
Oruna-Concha, M.J.; Bakker, J.; Ames, J.M.,
Comparison of the volatile components of two cultivars of potato cooked by boiling, conventional baking and microwave baking,
J. Sci. Food Agric., 2002, 82, 9, 1080-1087, https://doi.org/10.1002/jsfa.1148
. [all data]
Beaulieu and Grimm, 2001
Beaulieu, J.C.; Grimm, C.C.,
Identification of volatile compounds in cantaloupe at various developmental stages using solid phase microextraction,
J. Agric. Food Chem., 2001, 49, 3, 1345-1352, https://doi.org/10.1021/jf0005768
. [all data]
Elmore, Mottram, et al., 2000
Elmore, J.S.; Mottram, D.S.; Enser, M.; Wood, J.D.,
The effects of diet and breed on the volatile compounds of cooked lamb,
Meat Sci., 2000, 55, 2, 149-159, https://doi.org/10.1016/S0309-1740(99)00137-0
. [all data]
Boulanger, Chassagne, et al., 1999
Boulanger, R.; Chassagne, D.; Crouzet, J.,
Free and bound flavour components of amazonian fruits. 1: Bacuri,
Flavour Fragr. J., 1999, 14, 5, 303-311, https://doi.org/10.1002/(SICI)1099-1026(199909/10)14:5<303::AID-FFJ834>3.0.CO;2-C
. [all data]
Derail, Hofmann, et al., 1999
Derail, C.; Hofmann, T.; Schieberle, P.,
Differences in key odorants of handmade juice of yellow-flesh peaches (Prunus persica L.) induced by the workup procedure,
J. Agric. Food Chem., 1999, 47, 11, 4742-4745, https://doi.org/10.1021/jf990459g
. [all data]
Hinterholzer, Lemos, et al., 1998
Hinterholzer, A.; Lemos, T.; Schieberle, P.,
Identification of the key odorants in raw French beans and changes during cooking,
Z. Lebensm. Unters. Forsch. A, 1998, 207, 3, 219-222, https://doi.org/10.1007/s002170050322
. [all data]
Elmore, Mottram, et al., 1997
Elmore, J.S.; Mottram, D.S.; Enser, M.; Wood, J.D.,
Novel thiazoles and 3-thiazolines in cooked beef aroma,
J. Agric. Food Chem., 1997, 45, 9, 3603-3607, https://doi.org/10.1021/jf970066m
. [all data]
Triqui and Reineccius, 1995
Triqui, R.; Reineccius, G.A.,
Changes in flavor profiles with ripening of anchovy (Engraulis encrasicholus),
J. Agric. Food Chem., 1995, 43, 7, 1883-1889, https://doi.org/10.1021/jf00055a024
. [all data]
Ullrich and Grosch, 1988
Ullrich, F.; Grosch, W.,
Identification of the most intense odor compounds formed during autoxidation of methyl linolenate at room temperature,
J. Amer. Oil Chem. Soc., 1988, 65, 8, 1313-1317, https://doi.org/10.1007/BF02542413
. [all data]
Mikolajczak, Zilkowski, et al., 1984
Mikolajczak, K.L.; Zilkowski, B.W.; Smith, C.R., Jr.; Burkholder, W.E.,
Volatile food attractants for Oryzaephilus surinamensis (L.) from oats,
J. Chem. Ecol., 1984, 10, 2, 301-309, https://doi.org/10.1007/BF00987858
. [all data]
Notes
Go To: Top, Van Den Dool and Kratz RI, non-polar column, custom temperature program, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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